1.0 2010-04-08 22:10:17 UTC 2019-11-26 03:07:16 UTC FDB012641 Glycerol 1,3-di-(9Z,12Z-octadecadienoate) 2-(9Z-octadecenoate) Minor component of sunflower and other vegetable oils. Glycerol 1,3-di-(9Z,12Z-octadecadienoate) 2-(9Z-octadecenoate) is found in fats and oils. 9,12-Octadecadienoic acid 2-[(1-oxo-9-octadecenyl)oxy]-1,3-propanediyl ester a,a'-Dilinoleoolein C57H100O6 881.4003 880.751990932 2-[(9E)-octadec-9-enoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl (9E,12E)-octadeca-9,12-dienoate 2-[(9E)-octadec-9-enoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl (9E,12E)-octadeca-9,12-dienoate 2190-22-9 CCCCCCCC\C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)COC(=O)CCCCCCC\C=C\C\C=C\CCCCC InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,54H,4-15,18,21-24,31-53H2,1-3H3/b19-16+,20-17+,28-25+,29-26+,30-27+ UDQCIYKUZOQISE-SIBCJXFASA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Triacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Lineolic acids and derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives logp 10.74 ALOGPS logs -8.15 ALOGPS solubility 6.26e-06 g/l ALOGPS melting_point Mp -40° logp 19.78 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 2-[(9E)-octadec-9-enoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl (9E,12E)-octadeca-9,12-dienoate ChemAxon average_mass 881.4003 ChemAxon mono_mass 880.751990932 ChemAxon smiles CCCCCCCC\C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)COC(=O)CCCCCCC\C=C\C\C=C\CCCCC ChemAxon formula C57H100O6 ChemAxon inchi InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,54H,4-15,18,21-24,31-53H2,1-3H3/b19-16+,20-17+,28-25+,29-26+,30-27+ ChemAxon inchikey UDQCIYKUZOQISE-SIBCJXFASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 274.48 ChemAxon polarizability 114.66 ChemAxon rotatable_bond_count 51 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 638698 Specdb::MsMs 638699 Specdb::MsMs 638700 Specdb::MsMs 2414716 Specdb::MsMs 2414717 Specdb::MsMs 2414718 Specdb::MsMs 2551760 Specdb::MsMs 2551761 Specdb::MsMs 2551762 Specdb::MsMs 2622908 Specdb::MsMs 2622909 Specdb::MsMs 2622910 Specdb::MsMs 2656693 Specdb::MsMs 2656694 Specdb::MsMs 2656695 Specdb::MsMs 3109545 Specdb::MsMs 3109546 Specdb::MsMs 3109547 HMDB34298 #<Reference:0x000055ce31db7e50> Fats and oils Unknown generic